CID 88861592

1,1-difluoro-2-methylbut-3-yn-2-ol

Structural Information

Molecular Formula
C5H6F2O
SMILES
CC(C#C)(C(F)F)O
InChI
InChI=1S/C5H6F2O/c1-3-5(2,8)4(6)7/h1,4,8H,2H3
InChIKey
VKLIQGDUIOAXHV-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-methylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

120.03867 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04595 119.2
[M+Na]+ 143.02789 128.8
[M-H]- 119.03139 115.8
[M+NH4]+ 138.07249 138.7
[M+K]+ 159.00183 127.6
[M+H-H2O]+ 103.03593 108.4
[M+HCOO]- 165.03687 132.6
[M+CH3COO]- 179.05252 177.9
[M+Na-2H]- 141.01334 124.1
[M]+ 120.03812 110.6
[M]- 120.03922 110.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe